Materials Databases: Foundations of Modern Digital Materials

Computational materials databases

| Database | URL | Note |
| ------------------------------------------- | ------------------------------------------------------------------------------ | ------------------------------------------------------------------- |
| AFLOW | [https://aflow.org/](https://aflow.org/) | inferred/common official URL |
| Materials Project | [https://materialsproject.org/](https://materialsproject.org/) | inferred/common official URL |
| NOMAD | [https://nomad-lab.eu/](https://nomad-lab.eu/) | inferred/common official URL |
| OQMD | [http://oqmd.org/](http://oqmd.org/) | inferred/common official URL |
| CatApp | [https://www.catalysis-hub.org/catapp/](https://www.catalysis-hub.org/catapp/) | inferred/common official URL / accessed via Catalysis-Hub ecosystem |

Experimental materials databases | Database | URL | | ------------------------------------------- | ---------------------------------------------------------------------------------- | | ICSD — Inorganic Crystal Structure Database | [https://icsd.products.fiz-karlsruhe.de/](https://icsd.products.fiz-karlsruhe.de/) | | DigCat — Digital Catalysis Platform | [https://www.digcat.org/](https://www.digcat.org/) | | Crystallography Open Database — COD | [https://www.crystallography.net/cod/](https://www.crystallography.net/cod/) | | MPDS — Materials Platform for Data Science | [https://mpds.io](https://mpds.io) | | CSD — Cambridge Structural Database | [https://www.ccdc.cam.ac.uk/](https://www.ccdc.cam.ac.uk/) | | Battery Archive | [https://www.batteryarchive.org/](https://www.batteryarchive.org/) | | DigBat / DDSE | [https://www.digbat.org](https://www.digbat.org) | | DigHyd | [https://www.dighyd.org/](https://www.dighyd.org/) | | Digital Hydrogen-S | [https://digital-hydrogen.com/storage](https://digital-hydrogen.com/storage) | | Catalysis-Hub | [https://www.catalysis-hub.org/](https://www.catalysis-hub.org/) | inferred/common official URL | | Computational Single-Atom Catalyst Database | not explicitly listed in the paper table | URL not visible in parsed table | | Open Catalyst Project | [https://opencatalystproject.org/](https://opencatalystproject.org/) | inferred/common official URL | | BEAST DB | [https://beastdb.nrel.gov/](https://beastdb.nrel.gov/) | inferred/common official URL |

Citation: Y.zhang et al. Materials Databases: Foundations of Modern Digital Materials. Precision Chemistry, 2026